2-PHENYLCARBAMOYL-1,4-NAPHTHOQUINONE-4-(4-DIETHYLAMINO-2-METHYLPHENYL)IMINE(102187-19-9) MS
Product Name2-PHENYLCARBAMOYL-1,4-NAPHTHOQUINONE-4-(4-DIETHYLAMINO-2-METHYLPHENYL)IMINE
CAS102187-19-9
Molecular FormulaC28H27N3O2
Molecular Weight437.53
InChIInChI=1S/C28H27N3O2/c1-4-31(5-2)21-15-16-25(19(3)17-21)30-26-18-24(27(32)23-14-10-9-13-22(23)26)28(33)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,33)
InChIKey ZYKBEIDPRRYKKQ-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=NC2=CC=C(N(CC)CC)C=C2C)C=C1C(NC1=CC=CC=C1)=O
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MassMS-IW-5095 4-(4-diethylamino-2-methylphenylimino)-1-oxo-N-phenyl-1,4-dihydro-2-naphthalenecarboxamide C28H27N3O2 (Mass of molecular ion: 437)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
28.0 1.5 29.0 2.1 39.0 2.7 41.0 1.2 51.0 1.6 52.0 1.1 63.0 1.5 64.0 1.5 65.0 6.6 66.0 6.9 77.0 2.8 78.0 1.4 79.0 1.0 89.0 1.7 90.0 1.5 91.0 4.7 92.0 3.6 93.0 24.5 94.0 2.1 102.0 1.2 104.0 1.1 108.5 1.2 115.0 1.3 116.0 1.0 117.0 1.8 118.0 2.4 119.0 4.3 123.0 1.6 130.0 2.7 132.0 1.4 133.0 1.8 134.0 1.6 137.0 1.7 143.5 1.2 144.0 1.1 147.0 2.4 148.0 1.1 151.0 1.1 161.0 1.3 163.0 4.3 165.0 1.2 178.0 2.4 189.0 1.4 190.0 1.2 202.0 1.0 203.0 1.7 204.0 1.4 211.0 3.0 211.5 1.1 215.0 1.2 216.0 4.2 217.0 10.5 218.0 4.1 218.5 1.3 219.0 1.8 230.0 1.6 231.0 1.5 232.0 2.1 233.0 1.2 243.0 1.5 244.0 5.8 245.0 13.0 246.0 7.3 247.0 2.0 258.0 1.8 259.0 3.3 260.0 1.8 261.0 2.0 271.0 2.0 272.0 4.6 273.0 18.5 274.0 5.6 275.0 3.3 286.0 1.1 287.0 3.6 288.0 1.8 289.0 1.6 290.0 1.6 299.0 1.8 300.0 2.0 301.0 3.8 302.0 2.1 303.0 3.4 315.0 1.8 316.0 2.5 317.0 3.6 318.0 4.3 319.0 1.2 329.0 2.9 330.0 1.5 331.0 7.5 332.0 1.8 342.0 1.1 343.0 1.9 344.0 3.1 345.0 6.9 346.0 39.4 347.0 9.9 348.0 1.7 355.0 1.0 370.0 5.5 371.0 1.5 409.0 5.6 410.0 1.6 411.0 1.2 422.0 60.1 423.0 18.2 424.0 3.0 435.0 1.0 437.0 100.0 438.0 32.2 439.0 21.0 440.0 5.6 463.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H27 N3 O2 0.041 g : 0.5 ml CDCl3 4-(4-diethylamino-2-methylphenylimino)-1-oxo-N-phenyl-1,4-dihydro-2-naphthalenecarboxamide 
Assign. Shift(ppm)
A 11.62 B 8.575 C 8.543 D 8.290 E 7.783 F 7.705 G 7.611 J 7.354 K 7.120 L 6.795 M 6.687 N 6.572 P 3.440 Q 2.476 R 1.235
Hz ppm Int.4642.72 11.617 120 3427.05 8.576 580 3418.62 8.555 111 3417.89 8.553 113 3411.11 8.536 107 3410.56 8.534 120 3409.83 8.533 114 3318.06 8.303 105 3317.15 8.301 111 3316.60 8.299 97 3310.55 8.284 110 3310.19 8.283 117 3309.09 8.280 112 3115.66 7.796 175 3114.56 7.794 212 3112.55 7.789 61 3107.05 7.775 226 3105.95 7.772 193 3088.19 7.728 60 3086.91 7.725 63 3081.04 7.710 103 3079.76 7.707 105 3078.85 7.704 77 3073.17 7.690 88 3071.70 7.686 82 3049.54 7.631 85 3048.07 7.627 90 3042.21 7.613 88 3041.48 7.611 110 3040.20 7.608 98 3034.34 7.593 65 3033.05 7.590 61 2947.15 7.375 150 2945.13 7.370 51 2939.64 7.356 218 2938.72 7.354 192 2932.86 7.339 63 2931.21 7.335 161 2853.37 7.140 51 2852.27 7.137 88 2851.17 7.135 52 2844.94 7.119 144 2838.53 7.103 40 2837.43 7.100 65 2836.33 7.098 36 2720.57 6.808 168 2711.60 6.785 205 2674.05 6.691 119 2671.67 6.686 129 2631.92 6.586 96 2628.99 6.579 84 2622.94 6.564 79 2620.20 6.557 71 1385.84 3.468 113 1378.69 3.450 366 1371.55 3.432 371 1364.41 3.415 117 989.83 2.477 799 500.59 1.253 434 493.63 1.236 1000 486.49 1.218 421
KBr disc
nujol mull
